Inorganic Solid Phases

KCe[(H2O)6Ce]2[(H2O)4CeSiW11O39]2·40H2O (KCe5W22[SiO4]2O70[H2O]60, T = 185 K) Crystal Structure

General Information

  • Phase Label(s): KCe5W22[SiO4]2O70[H2O]60
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP356
  • Space Group: 14
  • Phase Prototype: KLa5W22[SiO4]2O70[H2O]62
  • Measurement Detail(s): automatic diffractometer; 34957 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 185 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 718 variables; 10136 reflections; I > 2σ(I), R = 0.0666; wR = 0.1533
  • Sample Detail(s): sample prepared from Ce[NO3]3[H2O]6, K4[SiW11O39][H2O]3, NaOH, atomic emission spectroscopy; 55.77 wt.% W, 9.92 wt.% Ce, 0.68 wt.% K, 0.93 wt.% Si, 1.60 wt.% H, single crystal (determination of cell parameters), single crystal, 0.34×0.38×0.45 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KCe5W22[SiO4]2O70[H2O]60
  • Alphabetic Formula: Ce5[H2O]60KO70[SiO4]2W22
  • Published Formula: KCe[(H2O)6Ce]2[(H2O)4CeSiW11O39]2·40H2O
  • Refined Formula: Ce5H120KO138Si2W22
  • Wyckoff Sequence: 14,e89
  • Z Formula Units: 2
  • Density: ρ = 3.91 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1021574

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

    Citation copied